In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 23 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.48 | 5.49 | -7.31 | 0 | 5 | 0 | 45 | 353.875 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 6.42 | -7.09 | 0 | 5 | 0 | 45 | 353.875 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 7.88 | -40.34 | 1 | 5 | 1 | 46 | 354.883 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.48 | 8.69 | -39.11 | 1 | 5 | 1 | 46 | 354.883 | 5 | ↓ |